Article ID: 806 - Last Modified: December 4, 2010
How are the XP descriptors useful in analyzing docking results?
Breaking down the components of the scoring function reveals more details as to why a ligand is binding well, and helps to understand ranking amongst other ligands. For example potent binding may be explained by particular types of Hbond, and sub-optimal binding by particular types of penalty. Often these are not obvious from simply examining the poses along with a single value, the GlideScore.
Keywords: Glide, XP descriptors
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